Molecule

ID:57907

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄N₂O₂S
Molecular Mass
284.41756
Exact Mass
284.15584902
Charge
0
InChI
InChI=1S/C14H24N2O2S/c1-11(2)9-16(10-12(3)4)19(17,18)14-7-5-13(15)6-8-14/h5-8,11-12H,9-10,15H2,1-4H3
InChIKey
SIQNRECRBYIFHW-UHFFFAOYSA-N
Canonic Smiles
CC(CN(S(=O)(=O)c1ccc(cc1)N)CC(C)C)C
Isomeric Smiles
S(=O)(=O)(N(CC(C)C)CC(C)C)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.685884
LogD (pH = 7.4)
2.6863039
Log P
2.686309
Molar Refractivity
80.1981
Polarizability
31.46969
Polar Surface Area
63.4
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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